SCHEMBL7116341

SCHEMBL7116341

N#Cc1ncc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
MMP2 P08253 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
GCK P35557 1/20 0.34
USP30 Q70CQ3 2/20 0.34
EGLN1 Q9GZT9 6/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EZH2 Q15910 1/20 0.34
KDM1A O60341 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SCN9A Q15858 3/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7120608 0.86 POLB (0.37) MMP2MMP7MMP9MMP13GCK
SCHEMBL7124979 0.86 F10 (0.38) MMP2MMP7MMP9MMP13GCK
SCHEMBL7116208 0.85 POLB (0.36) MMP2MMP7MMP9MMP13GCK
SCHEMBL7122587 0.85 ACACB (0.41) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7126688 0.85 MMP2 (0.35) MMP2MMP7MMP9MMP13GCK
SCHEMBL7120369 0.84 EPHX2 (0.36) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7123807 0.84 SCN9A (0.37) MMP2MMP7MMP9MMP13GCK
SCHEMBL7115944 0.83 EPHX2 (0.36) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7123432 0.83 MMP2 (0.39) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7120560 0.83 GCK (0.42) MMP2MMP7MMP9MMP13GCK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 EPHX2 194/4885MMP2 3731/4885MMP7 2061/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.